N-(5-methylsulfonylthiophen-2-yl)acetamide

C7H9NO3S2 — CID 21340923

IUPACN-(5-methylsulfonylthiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-5(9)8-6-3-4-7(12-6)13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeyQCPUTBAAHKPSHP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.11
Rot. Bonds2

About N-(5-methylsulfonylthiophen-2-yl)acetamide

N-(5-methylsulfonylthiophen-2-yl)acetamide (PubChem CID 21340923) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(5-methylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylsulfonylthiophen-2-yl)acetamide
PubChem CID21340923
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC NameN-(5-methylsulfonylthiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-5(9)8-6-3-4-7(12-6)13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeyQCPUTBAAHKPSHP-UHFFFAOYSA-N
XLogP1.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(5-methylsulfonylthiophen-2-yl)acetamide (CID 21340923) is N-(5-methylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-methylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(5-methylsulfonylthiophen-2-yl)acetamide is CC(=O)Nc1ccc(S(C)(=O)=O)s1.
What is the InChIKey of N-(5-methylsulfonylthiophen-2-yl)acetamide?
The InChIKey is QCPUTBAAHKPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-5(9)8-6-3-4-7(12-6)13(2,10)11/h3-4H,1-2H3,(H,8,9).
What are the key properties of N-(5-methylsulfonylthiophen-2-yl)acetamide?
N-(5-methylsulfonylthiophen-2-yl)acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 21340923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).